4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine

C18H21N9O — CID 59548180

About 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine

4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548180) has the molecular formula C18H21N9O and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine
• PubChem CID: 59548180
• Molecular Formula: C18H21N9O
• Molecular Weight: 379.43 g/mol
• Exact Mass: 379.19
• IUPAC Name: 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine
• SMILES: COc1ccc(Nc2nc(N3CCCC3)ncc2-c2nc(C)nc(N)n2)cn1
• InChI: InChI=1S/C18H21N9O/c1-11-22-15(25-17(19)23-11)13-10-21-18(27-7-3-4-8-27)26-16(13)24-12-5-6-14(28-2)20-9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,24,26)(H2,19,22,23,25)
• InChIKey: JQDRVVKOLRSABR-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 127.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?

The IUPAC name of 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine (CID 59548180) is 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCCC3)ncc2-c2nc(C)nc(N)n2)cn1.

What is the InChIKey of 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?

The InChIKey is JQDRVVKOLRSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O/c1-11-22-15(25-17(19)23-11)13-10-21-18(27-7-3-4-8-27)26-16(13)24-12-5-6-14(28-2)20-9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,24,26)(H2,19,22,23,25).

What are the key properties of 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine?

4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 379.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(6-methoxy-3-pyridinyl)amino]-2-pyrrolidin-1-ylpyrimidin-5-yl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).